200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1378391-42-4
1378391-42-4 | 1,2-Pyrrolidinedicarboxylic acid, 4-(methoxymethyl)-, 2-[2-(9-bromo-8,9,10,11-tetrahydro-8-oxo-5H-benzo[d]naphtho[2,3-b]pyran-3-yl)-2-oxoethyl] 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS No: 1378391-42-4 Catalog No: AG0013XD MDL No:
Product Description
Catalog Number:
AG0013XD
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-(methoxymethyl)-, 2-[2-(9-bromo-8,9,10,11-tetrahydro-8-oxo-5H-benzo[d]naphtho[2,3-b]pyran-3-yl)-2-oxoethyl] 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS Number:
1378391-42-4
Molecular Formula:
C31H34BrNO8
Molecular Weight:
628.5076
IUPAC Name:
2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C31H34BrNO8/c1-31(2,3)41-30(37)33-13-17(14-38-4)9-25(33)29(36)40-16-26(34)19-5-7-21-20(10-19)15-39-27-12-22-18(11-23(21)27)6-8-24(32)28(22)35/h5,7,10-12,17,24-25H,6,8-9,13-16H2,1-4H3/t17-,24?,25-/m0/s1
InChI Key:
RNASTNSTOJLQQE-BKYMLMSRSA-N
SMILES:
COC[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc2c(c1)COc1c2cc2CCC(C(=O)c2c1)Br
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
627.147g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.516g/mol
Monoisotopic Mass:
627.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.